N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide

C20H20N4O2 — CID 75450140

IUPACN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cc(NC(=O)C4CC4)ccc3C)cc2[nH]1
InChIInChI=1S/C20H20N4O2/c1-11-3-7-15(23-19(25)13-4-5-13)10-17(11)24-20(26)14-6-8-16-18(9-14)22-12(2)21-16/h3,6-10,13H,4-5H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyLVQRJFVAGVTFLB-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.78
Rot. Bonds4

About N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 75450140) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID75450140
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cc(NC(=O)C4CC4)ccc3C)cc2[nH]1
InChIInChI=1S/C20H20N4O2/c1-11-3-7-15(23-19(25)13-4-5-13)10-17(11)24-20(26)14-6-8-16-18(9-14)22-12(2)21-16/h3,6-10,13H,4-5H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyLVQRJFVAGVTFLB-UHFFFAOYSA-N
XLogP3.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
CID 55711603
methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate
CID 34143285
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46467572
4-(benzenesulfonamido)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 55711862
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692517
N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 166218130
N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963711

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide (CID 75450140) is N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)Nc3cc(NC(=O)C4CC4)ccc3C)cc2[nH]1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is LVQRJFVAGVTFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-11-3-7-15(23-19(25)13-4-5-13)10-17(11)24-20(26)14-6-8-16-18(9-14)22-12(2)21-16/h3,6-10,13H,4-5H2,1-2H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide?
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 75450140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).