2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride

C20H25ClN4O — CID 119822813

IUPAC2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-4-13(2)18(21)20(25)22-15-11-9-14(10-12-15)19-23-16-7-5-6-8-17(16)24(19)3;/h5-13,18H,4,21H2,1-3H3,(H,22,25);1H
InChIKeyKTFDKQRJYOTKRB-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.97
Rot. Bonds5

About 2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride (PubChem CID 119822813) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride
PubChem CID119822813
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-4-13(2)18(21)20(25)22-15-11-9-14(10-12-15)19-23-16-7-5-6-8-17(16)24(19)3;/h5-13,18H,4,21H2,1-3H3,(H,22,25);1H
InChIKeyKTFDKQRJYOTKRB-UHFFFAOYSA-N
XLogP3.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
CID 119822806
[2-methyl-1-[4-(1-methylbenzimidazol-2-yl)anilino]-1-oxopropan-2-yl] acetate
CID 99788360
2-amino-3-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide;hydrochloride
CID 119724910
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride
CID 119790178
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 51135396
N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119822821

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride (CID 119822813) is 2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride?
The InChIKey is KTFDKQRJYOTKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.ClH/c1-4-13(2)18(21)20(25)22-15-11-9-14(10-12-15)19-23-16-7-5-6-8-17(16)24(19)3;/h5-13,18H,4,21H2,1-3H3,(H,22,25);1H.
What are the key properties of 2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.97, 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-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119822813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).