1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea

C17H17N7O3 — CID 69462051

IUPAC1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc2ccccc2[nH]1.O=C(O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10N4O.C8H7N3O2/c1-10-9(14)13-8-11-6-4-2-3-5-7(6)12-8;12-8(13)11-7-9-5-3-1-2-4-6(5)10-7/h2-5H,1H3,(H3,10,11,12,13,14);1-4H,(H,12,13)(H2,9,10,11)
InChIKeyGIIMZFASJCNTGG-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.97
Rot. Bonds2

About 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea

1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea (PubChem CID 69462051) has the molecular formula C17H17N7O3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea.

Molecular Properties

Compound Name1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
PubChem CID69462051
Molecular FormulaC17H17N7O3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc2ccccc2[nH]1.O=C(O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10N4O.C8H7N3O2/c1-10-9(14)13-8-11-6-4-2-3-5-7(6)12-8;12-8(13)11-7-9-5-3-1-2-4-6(5)10-7/h2-5H,1H3,(H3,10,11,12,13,14);1-4H,(H,12,13)(H2,9,10,11)
InChIKeyGIIMZFASJCNTGG-UHFFFAOYSA-N
XLogP2.97
TPSA147.82 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 52.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Analyze 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
CID 171986665
1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea
CID 107653951
(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate
CID 139747232
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
CID 4159955
1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
CID 58011032
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
1-(1H-benzimidazol-2-yl)-3-[2-(cyanomethyl)phenyl]urea
CID 171803128
1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea
CID 27165351

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea?
The IUPAC name of 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea (CID 69462051) is 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea.
What is the SMILES notation for 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea?
The canonical SMILES for 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea is CNC(=O)Nc1nc2ccccc2[nH]1.O=C(O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea?
The InChIKey is GIIMZFASJCNTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O.C8H7N3O2/c1-10-9(14)13-8-11-6-4-2-3-5-7(6)12-8;12-8(13)11-7-9-5-3-1-2-4-6(5)10-7/h2-5H,1H3,(H3,10,11,12,13,14);1-4H,(H,12,13)(H2,9,10,11).
What are the key properties of 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea?
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea has a molecular weight of 367.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea is sourced from PubChem (CID 69462051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).