N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C25H33N5 — CID 11524227

IUPACN-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nc2c(CCCN3CCCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C25H33N5/c1-29(22-13-5-9-20-10-6-14-26-25(20)22)18-23-27-21-12-4-8-19(24(21)28-23)11-7-17-30-15-2-3-16-30/h4,6,8,10,12,14,22H,2-3,5,7,9,11,13,15-18H2,1H3,(H,27,28)
InChIKeyJFCUMHNRFWTSSD-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.50
Rot. Bonds7

About N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11524227) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11524227
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC NameN-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nc2c(CCCN3CCCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C25H33N5/c1-29(22-13-5-9-20-10-6-14-26-25(20)22)18-23-27-21-12-4-8-19(24(21)28-23)11-7-17-30-15-2-3-16-30/h4,6,8,10,12,14,22H,2-3,5,7,9,11,13,15-18H2,1H3,(H,27,28)
InChIKeyJFCUMHNRFWTSSD-UHFFFAOYSA-N
XLogP4.50
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
Mavorixafor
CID 11256587
Toreforant
CID 23650961
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
PF-4708671
CID 51371303
Apto-253
CID 11960271
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Akn-028
CID 44177328
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
Bms 345541
CID 9926054

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11524227) is N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1nc2c(CCCN3CCCC3)cccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is JFCUMHNRFWTSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5/c1-29(22-13-5-9-20-10-6-14-26-25(20)22)18-23-27-21-12-4-8-19(24(21)28-23)11-7-17-30-15-2-3-16-30/h4,6,8,10,12,14,22H,2-3,5,7,9,11,13,15-18H2,1H3,(H,27,28).
What are the key properties of N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 403.57 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11524227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).