2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide

C10H11ClN4O2 — CID 169368516

IUPAC2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide
SMILESCOc1cc2[nH]c(=O)[nH]c2cc1/N=C(/N)CCl
InChIInChI=1S/C10H11ClN4O2/c1-17-8-3-6-5(14-10(16)15-6)2-7(8)13-9(12)4-11/h2-3H,4H2,1H3,(H2,12,13)(H2,14,15,16)
InChIKeyWJMJIBOXWJQTKB-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.09
Rot. Bonds3

About 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide

2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide (PubChem CID 169368516) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide
PubChem CID169368516
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide
SMILESCOc1cc2[nH]c(=O)[nH]c2cc1/N=C(/N)CCl
InChIInChI=1S/C10H11ClN4O2/c1-17-8-3-6-5(14-10(16)15-6)2-7(8)13-9(12)4-11/h2-3H,4H2,1H3,(H2,12,13)(H2,14,15,16)
InChIKeyWJMJIBOXWJQTKB-UHFFFAOYSA-N
XLogP1.09
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656
4-[(1-amino-2-chloroethylidene)amino]-3-methoxybenzoic acid
CID 169365205
2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
CID 169369479
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
CID 169366293
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
4-[(1-amino-2-chloroethylidene)amino]-5-chloro-2-methoxybenzoic acid
CID 169365021
ethyl 2-[(Z)-(1-amino-2-chloroethylidene)amino]-5,6-dimethoxy-1H-indole-3-carboxylate
CID 14293798
3-[(1-amino-2-chloroethylidene)amino]-N,N-diethyl-4,5-dimethoxybenzamide
CID 169367971
2-chloro-N'-[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]ethanimidamide
CID 169365601
6,7-dimethoxy-4-sulfanylidene-1H-quinazolin-2-one
CID 15430356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide (CID 169368516) is 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide is COc1cc2[nH]c(=O)[nH]c2cc1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide?
The InChIKey is WJMJIBOXWJQTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-17-8-3-6-5(14-10(16)15-6)2-7(8)13-9(12)4-11/h2-3H,4H2,1H3,(H2,12,13)(H2,14,15,16).
What are the key properties of 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide?
2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide has a molecular weight of 254.68 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide is sourced from PubChem (CID 169368516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).