[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride

C15H13Cl2N3O2 — CID 67736317

IUPAC[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
SMILESCl.O=C(O)Nc1nc2ccc(Cc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C15H12ClN3O2.ClH/c16-11-4-2-1-3-10(11)7-9-5-6-12-13(8-9)18-14(17-12)19-15(20)21;/h1-6,8H,7H2,(H,20,21)(H2,17,18,19);1H
InChIKeyXPVJXVHAXSOHNV-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.32
Rot. Bonds3

About [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride

[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride (PubChem CID 67736317) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
PubChem CID67736317
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
SMILESCl.O=C(O)Nc1nc2ccc(Cc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C15H12ClN3O2.ClH/c16-11-4-2-1-3-10(11)7-9-5-6-12-13(8-9)18-14(17-12)19-15(20)21;/h1-6,8H,7H2,(H,20,21)(H2,17,18,19);1H
InChIKeyXPVJXVHAXSOHNV-UHFFFAOYSA-N
XLogP4.32
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid
CID 67736355
[6-[2-[(5-chloro-2,4-difluorophenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamic acid
CID 67376754
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
6-benzyl-1H-benzimidazole-2-carboxylic acid
CID 76845904
2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid
CID 142636695
[6-[4-(phenylcarbamoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 22022416
[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
CID 67842381
1-[6-[(2-chlorophenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]-3-(2-hydroxyethyl)urea
CID 71569571
2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772765
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955
2-[[2-[[2-(4-bromophenyl)acetyl]amino]-2-phenylacetyl]amino]-3H-benzimidazole-5-carboxamide
CID 167948469

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride?
The IUPAC name of [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride (CID 67736317) is [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride.
What is the SMILES notation for [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride?
The canonical SMILES for [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride is Cl.O=C(O)Nc1nc2ccc(Cc3ccccc3Cl)cc2[nH]1.
What is the InChIKey of [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride?
The InChIKey is XPVJXVHAXSOHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2.ClH/c16-11-4-2-1-3-10(11)7-9-5-6-12-13(8-9)18-14(17-12)19-15(20)21;/h1-6,8H,7H2,(H,20,21)(H2,17,18,19);1H.
What are the key properties of [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride?
[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride has a molecular weight of 338.19 g/mol, XLogP of 4.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride is sourced from PubChem (CID 67736317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).