N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine

C19H25N5 — CID 74236272

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCN(Cc1cnc(CC2CCCC2)[nH]1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5/c1-24(13-19-22-16-8-4-5-9-17(16)23-19)12-15-11-20-18(21-15)10-14-6-2-3-7-14/h4-5,8-9,11,14H,2-3,6-7,10,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyRVVGOBJUTYSAHF-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.65
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine

N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 74236272) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID74236272
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCN(Cc1cnc(CC2CCCC2)[nH]1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5/c1-24(13-19-22-16-8-4-5-9-17(16)23-19)12-15-11-20-18(21-15)10-14-6-2-3-7-14/h4-5,8-9,11,14H,2-3,6-7,10,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyRVVGOBJUTYSAHF-UHFFFAOYSA-N
XLogP3.65
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine
CID 133108279
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
2-(6-cyclohexylhexyl)-1H-benzimidazole
CID 141189799
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 92561496
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 131930499
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine (CID 74236272) is N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine is CN(Cc1cnc(CC2CCCC2)[nH]1)Cc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is RVVGOBJUTYSAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-24(13-19-22-16-8-4-5-9-17(16)23-19)12-15-11-20-18(21-15)10-14-6-2-3-7-14/h4-5,8-9,11,14H,2-3,6-7,10,12-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 74236272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).