N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide

C24H27N7O — CID 11683397

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide
SMILESCN(Cc1nc2c(C(=O)NCCc3cnc[nH]3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C24H27N7O/c1-31(20-9-2-5-16-6-4-11-26-22(16)20)14-21-29-19-8-3-7-18(23(19)30-21)24(32)27-12-10-17-13-25-15-28-17/h3-4,6-8,11,13,15,20H,2,5,9-10,12,14H2,1H3,(H,25,28)(H,27,32)(H,29,30)
InChIKeyVLMHVPDHRBQBED-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.16
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 11683397) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide
PubChem CID11683397
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide
SMILESCN(Cc1nc2c(C(=O)NCCc3cnc[nH]3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C24H27N7O/c1-31(20-9-2-5-16-6-4-11-26-22(16)20)14-21-29-19-8-3-7-18(23(19)30-21)24(32)27-12-10-17-13-25-15-28-17/h3-4,6-8,11,13,15,20H,2,5,9-10,12,14H2,1H3,(H,25,28)(H,27,32)(H,29,30)
InChIKeyVLMHVPDHRBQBED-UHFFFAOYSA-N
XLogP3.16
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide (CID 11683397) is N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide is CN(Cc1nc2c(C(=O)NCCc3cnc[nH]3)cccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is VLMHVPDHRBQBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-31(20-9-2-5-16-6-4-11-26-22(16)20)14-21-29-19-8-3-7-18(23(19)30-21)24(32)27-12-10-17-13-25-15-28-17/h3-4,6-8,11,13,15,20H,2,5,9-10,12,14H2,1H3,(H,25,28)(H,27,32)(H,29,30).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11683397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).