N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide

C16H23N3O — CID 60959614

IUPACN-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide
SMILESCCCCN(C(=O)c1ccc2nc[nH]c2c1)C(C)CC
InChIInChI=1S/C16H23N3O/c1-4-6-9-19(12(3)5-2)16(20)13-7-8-14-15(10-13)18-11-17-14/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyQCJOIHLZSNWETA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.60
Rot. Bonds6

About N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide

N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide (PubChem CID 60959614) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide
PubChem CID60959614
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide
SMILESCCCCN(C(=O)c1ccc2nc[nH]c2c1)C(C)CC
InChIInChI=1S/C16H23N3O/c1-4-6-9-19(12(3)5-2)16(20)13-7-8-14-15(10-13)18-11-17-14/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyQCJOIHLZSNWETA-UHFFFAOYSA-N
XLogP3.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3H-benzimidazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60827417
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide
CID 103755268
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone
CID 82052598
N-butan-2-yl-N-butyl-4-iodobenzamide
CID 60660036
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 115317434
methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
CID 60959275
2-(3H-benzimidazole-5-carbonyl)butanoic acid
CID 116922875
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide (CID 60959614) is N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide is CCCCN(C(=O)c1ccc2nc[nH]c2c1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide?
The InChIKey is QCJOIHLZSNWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-6-9-19(12(3)5-2)16(20)13-7-8-14-15(10-13)18-11-17-14/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide?
N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 60959614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).