2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide

C15H22N4O — CID 119265100

IUPAC2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
SMILESCCCn1c(NC(=O)C(N)C(C)C)nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-4-9-19-12-8-6-5-7-11(12)17-15(19)18-14(20)13(16)10(2)3/h5-8,10,13H,4,9,16H2,1-3H3,(H,17,18,20)
InChIKeyDAJGIWLPZQQLPS-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.37
Rot. Bonds5

About 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide

2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide (PubChem CID 119265100) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
PubChem CID119265100
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
SMILESCCCn1c(NC(=O)C(N)C(C)C)nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-4-9-19-12-8-6-5-7-11(12)17-15(19)18-14(20)13(16)10(2)3/h5-8,10,13H,4,9,16H2,1-3H3,(H,17,18,20)
InChIKeyDAJGIWLPZQQLPS-UHFFFAOYSA-N
XLogP2.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
CID 38011370
2-[2-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179376
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487608
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide (CID 119265100) is 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide is CCCn1c(NC(=O)C(N)C(C)C)nc2ccccc21.
What is the InChIKey of 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide?
The InChIKey is DAJGIWLPZQQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-9-19-12-8-6-5-7-11(12)17-15(19)18-14(20)13(16)10(2)3/h5-8,10,13H,4,9,16H2,1-3H3,(H,17,18,20).
What are the key properties of 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide?
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide has a molecular weight of 274.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide is sourced from PubChem (CID 119265100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).