3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane

C34H44N6 — CID 144616136

IUPAC3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane
SMILESCC(CNCc1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)cc2)[nH]1)CC1CC1.CC1CC1
InChIInChI=1S/C30H36N6.C4H8/c1-20(15-21-4-5-21)16-31-19-29-33-17-27(35-29)24-10-6-22(7-11-24)23-8-12-25(13-9-23)28-18-34-30(36-28)26-3-2-14-32-26;1-4-2-3-4/h6-13,17-18,20-21,26,31-32H,2-5,14-16,19H2,1H3,(H,33,35)(H,34,36);4H,2-3H2,1H3
InChIKeyYXGDQRQNHISWJL-UHFFFAOYSA-N
MW536.77 g/mol
LogP7.50
Rot. Bonds10

About 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane

3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane (PubChem CID 144616136) has the molecular formula C34H44N6 and a molecular weight of 536.77 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane
PubChem CID144616136
Molecular FormulaC34H44N6
Molecular Weight536.77 g/mol
Exact Mass536.36
IUPAC Name3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane
SMILESCC(CNCc1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)cc2)[nH]1)CC1CC1.CC1CC1
InChIInChI=1S/C30H36N6.C4H8/c1-20(15-21-4-5-21)16-31-19-29-33-17-27(35-29)24-10-6-22(7-11-24)23-8-12-25(13-9-23)28-18-34-30(36-28)26-3-2-14-32-26;1-4-2-3-4/h6-13,17-18,20-21,26,31-32H,2-5,14-16,19H2,1H3,(H,33,35)(H,34,36);4H,2-3H2,1H3
InChIKeyYXGDQRQNHISWJL-UHFFFAOYSA-N
XLogP7.50
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.77
LogP ≤ 57.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
N-[[5-[6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5,7-dihydrobenzo[d][2]benzazepin-9-yl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 130415094
N-[[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 138604818
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
2-(propylaminomethyl)-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 143630163
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
(1S)-N-methyl-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethanamine
CID 46917630
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
CID 91301281
2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651080

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane?
The IUPAC name of 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane (CID 144616136) is 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane.
What is the SMILES notation for 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane?
The canonical SMILES for 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane is CC(CNCc1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)cc2)[nH]1)CC1CC1.CC1CC1.
What is the InChIKey of 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane?
The InChIKey is YXGDQRQNHISWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6.C4H8/c1-20(15-21-4-5-21)16-31-19-29-33-17-27(35-29)24-10-6-22(7-11-24)23-8-12-25(13-9-23)28-18-34-30(36-28)26-3-2-14-32-26;1-4-2-3-4/h6-13,17-18,20-21,26,31-32H,2-5,14-16,19H2,1H3,(H,33,35)(H,34,36);4H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane?
3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane has a molecular weight of 536.77 g/mol, XLogP of 7.50, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-N-[[5-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;methylcyclopropane is sourced from PubChem (CID 144616136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).