6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole

C15H17N5 — CID 116877618

IUPAC6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
SMILESc1nc2ccc(-c3cnc(CC4CCCN4)[nH]3)cc2[nH]1
InChIInChI=1S/C15H17N5/c1-2-11(16-5-1)7-15-17-8-14(20-15)10-3-4-12-13(6-10)19-9-18-12/h3-4,6,8-9,11,16H,1-2,5,7H2,(H,17,20)(H,18,19)
InChIKeyUUSLYKDPXZNOQP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.25
Rot. Bonds3

About 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole

6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole (PubChem CID 116877618) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
PubChem CID116877618
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
SMILESc1nc2ccc(-c3cnc(CC4CCCN4)[nH]3)cc2[nH]1
InChIInChI=1S/C15H17N5/c1-2-11(16-5-1)7-15-17-8-14(20-15)10-3-4-12-13(6-10)19-9-18-12/h3-4,6,8-9,11,16H,1-2,5,7H2,(H,17,20)(H,18,19)
InChIKeyUUSLYKDPXZNOQP-UHFFFAOYSA-N
XLogP2.25
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 114083168
5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 116877363
3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine
CID 116877211
3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880189
5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366282
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 96670413
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342

Frequently Asked Questions

What is the IUPAC name of 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole (CID 116877618) is 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole is c1nc2ccc(-c3cnc(CC4CCCN4)[nH]3)cc2[nH]1.
What is the InChIKey of 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole?
The InChIKey is UUSLYKDPXZNOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-11(16-5-1)7-15-17-8-14(20-15)10-3-4-12-13(6-10)19-9-18-12/h3-4,6,8-9,11,16H,1-2,5,7H2,(H,17,20)(H,18,19).
What are the key properties of 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole?
6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole has a molecular weight of 267.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 116877618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).