2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride

C20H23ClN4O2 — CID 119800349

IUPAC2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
SMILESCOc1ccc(-n2c(NC(=O)CNCC3CC3)nc3ccccc32)cc1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-26-16-10-8-15(9-11-16)24-18-5-3-2-4-17(18)22-20(24)23-19(25)13-21-12-14-6-7-14;/h2-5,8-11,14,21H,6-7,12-13H2,1H3,(H,22,23,25);1H
InChIKeyBPTDZSKKYYBRAW-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.39
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride (PubChem CID 119800349) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
PubChem CID119800349
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
SMILESCOc1ccc(-n2c(NC(=O)CNCC3CC3)nc3ccccc32)cc1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-26-16-10-8-15(9-11-16)24-18-5-3-2-4-17(18)22-20(24)23-19(25)13-21-12-14-6-7-14;/h2-5,8-11,14,21H,6-7,12-13H2,1H3,(H,22,23,25);1H
InChIKeyBPTDZSKKYYBRAW-UHFFFAOYSA-N
XLogP3.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119732173
N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800355
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794651
N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119939723
4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide
CID 120563260
2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
CID 119822806
(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635454
(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
CID 99811453
N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 41298746
2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide
CID 167760893
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
methyl 1-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 17476695

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride (CID 119800349) is 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride is COc1ccc(-n2c(NC(=O)CNCC3CC3)nc3ccccc32)cc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride?
The InChIKey is BPTDZSKKYYBRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-26-16-10-8-15(9-11-16)24-18-5-3-2-4-17(18)22-20(24)23-19(25)13-21-12-14-6-7-14;/h2-5,8-11,14,21H,6-7,12-13H2,1H3,(H,22,23,25);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119800349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).