2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride

C13H15Cl2N3O — CID 146089283

IUPAC2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CCl)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C13H14ClN3O.ClH/c14-7-13(18)15-8-12-16-10-3-1-2-4-11(10)17(12)9-5-6-9;/h1-4,9H,5-8H2,(H,15,18);1H
InChIKeyCXGCSMYCQBEXJF-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.65
Rot. Bonds4

About 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride

2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride (PubChem CID 146089283) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
PubChem CID146089283
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CCl)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C13H14ClN3O.ClH/c14-7-13(18)15-8-12-16-10-3-1-2-4-11(10)17(12)9-5-6-9;/h1-4,9H,5-8H2,(H,15,18);1H
InChIKeyCXGCSMYCQBEXJF-UHFFFAOYSA-N
XLogP2.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110712126
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 110712099
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
CID 110747246
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110712110
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 110712137
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]isoquinoline-4-carboxamide
CID 166212126
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110712108
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154793757
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 136530963
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
3-(aminomethyl)-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167772045

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride (CID 146089283) is 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride is Cl.O=C(CCl)NCc1nc2ccccc2n1C1CC1.
What is the InChIKey of 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride?
The InChIKey is CXGCSMYCQBEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O.ClH/c14-7-13(18)15-8-12-16-10-3-1-2-4-11(10)17(12)9-5-6-9;/h1-4,9H,5-8H2,(H,15,18);1H.
What are the key properties of 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride?
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride has a molecular weight of 300.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 146089283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).