3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide

C14H25ClN4O — CID 115674392

IUPAC3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCCCCc1nc(Cl)c(CNCCC(=O)NC(C)C)[nH]1
InChIInChI=1S/C14H25ClN4O/c1-4-5-6-12-18-11(14(15)19-12)9-16-8-7-13(20)17-10(2)3/h10,16H,4-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyGVFNWWUKYLSZHH-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.41
Rot. Bonds9

About 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide

3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 115674392) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide
PubChem CID115674392
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCCCCc1nc(Cl)c(CNCCC(=O)NC(C)C)[nH]1
InChIInChI=1S/C14H25ClN4O/c1-4-5-6-12-18-11(14(15)19-12)9-16-8-7-13(20)17-10(2)3/h10,16H,4-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyGVFNWWUKYLSZHH-UHFFFAOYSA-N
XLogP2.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
CID 107095280
2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
CID 107095406
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79756670
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
CID 114331440
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 107095115
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107095589
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719572
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pent-1-yn-3-amine
CID 106224939
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350387
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81362461

Frequently Asked Questions

What is the IUPAC name of 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide (CID 115674392) is 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide is CCCCc1nc(Cl)c(CNCCC(=O)NC(C)C)[nH]1.
What is the InChIKey of 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is GVFNWWUKYLSZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-4-5-6-12-18-11(14(15)19-12)9-16-8-7-13(20)17-10(2)3/h10,16H,4-9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 300.83 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115674392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).