N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide

C16H15N5O — CID 142011119

IUPACN-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide
SMILESCc1nc2ccc(/N=C(\N)NC(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H15N5O/c1-10-18-13-8-7-12(9-14(13)19-10)20-16(17)21-15(22)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)(H3,17,20,21,22)
InChIKeyFJWKYNDABDWHQY-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.25
Rot. Bonds2

About N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide

N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide (PubChem CID 142011119) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide
PubChem CID142011119
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide
SMILESCc1nc2ccc(/N=C(\N)NC(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H15N5O/c1-10-18-13-8-7-12(9-14(13)19-10)20-16(17)21-15(22)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)(H3,17,20,21,22)
InChIKeyFJWKYNDABDWHQY-UHFFFAOYSA-N
XLogP2.25
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide
CID 59210445
N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide
CID 142011793
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692517
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide
CID 142011428
N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135430047
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 116915401
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide
CID 5405538

Frequently Asked Questions

What is the IUPAC name of N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide?
The IUPAC name of N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide (CID 142011119) is N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide is Cc1nc2ccc(/N=C(\N)NC(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide?
The InChIKey is FJWKYNDABDWHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-18-13-8-7-12(9-14(13)19-10)20-16(17)21-15(22)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)(H3,17,20,21,22).
What are the key properties of N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide?
N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide is sourced from PubChem (CID 142011119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).