N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide

C15H22N4O — CID 115317434

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-10(2)12(16)6-7-19(3)15(20)11-4-5-13-14(8-11)18-9-17-13/h4-5,8-10,12H,6-7,16H2,1-3H3,(H,17,18)
InChIKeySLBGYZDXOQJAJS-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.01
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide

N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 115317434) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
PubChem CID115317434
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-10(2)12(16)6-7-19(3)15(20)11-4-5-13-14(8-11)18-9-17-13/h4-5,8-10,12H,6-7,16H2,1-3H3,(H,17,18)
InChIKeySLBGYZDXOQJAJS-UHFFFAOYSA-N
XLogP2.01
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
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CID 63860629
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
4-[3H-benzimidazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60827417
N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
4-amino-1-(3H-benzimidazol-5-yl)-2-methylbutan-1-one
CID 116916037
N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide
CID 60959614
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 29025706

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide (CID 115317434) is N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide is CC(C)C(N)CCN(C)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is SLBGYZDXOQJAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)12(16)6-7-19(3)15(20)11-4-5-13-14(8-11)18-9-17-13/h4-5,8-10,12H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide?
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 115317434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).