N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide

C14H20N4O — CID 80698335

IUPACN-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-2-3-4-11(8-15)18-14(19)10-5-6-12-13(7-10)17-9-16-12/h5-7,9,11H,2-4,8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyANGHUAFFTQDYRW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.81
Rot. Bonds6

About N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide

N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 80698335) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID80698335
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-2-3-4-11(8-15)18-14(19)10-5-6-12-13(7-10)17-9-16-12/h5-7,9,11H,2-4,8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyANGHUAFFTQDYRW-UHFFFAOYSA-N
XLogP1.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
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CID 63731791
N-(1-hydroxy-4-methylpentan-3-yl)-3H-benzimidazole-5-carboxamide
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N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide (CID 80698335) is N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide is CCCCC(CN)NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ANGHUAFFTQDYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-3-4-11(8-15)18-14(19)10-5-6-12-13(7-10)17-9-16-12/h5-7,9,11H,2-4,8,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide?
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 80698335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).