2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride

C19H21ClN4O — CID 119732173

IUPAC2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H20N4O.ClH/c24-18(13-20-12-14-10-11-14)22-19-21-16-8-4-5-9-17(16)23(19)15-6-2-1-3-7-15;/h1-9,14,20H,10-13H2,(H,21,22,24);1H
InChIKeyGTAVOFWOKGUPES-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.39
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride (PubChem CID 119732173) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride
PubChem CID119732173
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H20N4O.ClH/c24-18(13-20-12-14-10-11-14)22-19-21-16-8-4-5-9-17(16)23(19)15-6-2-1-3-7-15;/h1-9,14,20H,10-13H2,(H,21,22,24);1H
InChIKeyGTAVOFWOKGUPES-UHFFFAOYSA-N
XLogP3.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
CID 119800349
3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119732171
N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800355
2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
CID 119822806
4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid
CID 151956414
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
(2R)-N-(1-phenylbenzimidazol-2-yl)-1,4-dioxane-2-carboxamide
CID 94103538
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794651
2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide
CID 56789277
N-cyclohexyl-1-phenylbenzimidazol-2-amine
CID 53254471
1-butylsulfonyl-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 55806336
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 47078417

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride (CID 119732173) is 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride is Cl.O=C(CNCC1CC1)Nc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride?
The InChIKey is GTAVOFWOKGUPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c24-18(13-20-12-14-10-11-14)22-19-21-16-8-4-5-9-17(16)23(19)15-6-2-1-3-7-15;/h1-9,14,20H,10-13H2,(H,21,22,24);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119732173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).