N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide

C21H20N6O — CID 56961741

IUPACN-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)NC3CC3)cc(Nc3ncc4cccc(C)c4n3)cc2[nH]1
InChIInChI=1S/C21H20N6O/c1-11-4-3-5-13-10-22-21(27-18(11)13)26-15-8-16(20(28)25-14-6-7-14)19-17(9-15)23-12(2)24-19/h3-5,8-10,14H,6-7H2,1-2H3,(H,23,24)(H,25,28)(H,22,26,27)
InChIKeyKLERAFWMZGECLL-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.76
Rot. Bonds4

About N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide

N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide (PubChem CID 56961741) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide
PubChem CID56961741
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)NC3CC3)cc(Nc3ncc4cccc(C)c4n3)cc2[nH]1
InChIInChI=1S/C21H20N6O/c1-11-4-3-5-13-10-22-21(27-18(11)13)26-15-8-16(20(28)25-14-6-7-14)19-17(9-15)23-12(2)24-19/h3-5,8-10,14H,6-7H2,1-2H3,(H,23,24)(H,25,28)(H,22,26,27)
InChIKeyKLERAFWMZGECLL-UHFFFAOYSA-N
XLogP3.76
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide
CID 142717111
[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 142717116
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]urea
CID 56961746
N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide
CID 56961810
N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
CID 59615252
N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide
CID 170037856
4-[(8-methylquinazolin-2-yl)amino]benzoic acid
CID 150737082
6-[(8-chloroquinazolin-2-yl)amino]-N,2-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 56961527
ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
CID 59615247
N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082546
2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
CID 58082154
4-(3-acetamidoanilino)-2-anilino-N-cyclopropylpyrimidine-5-carboxamide
CID 123814811

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide (CID 56961741) is N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide is Cc1nc2c(C(=O)NC3CC3)cc(Nc3ncc4cccc(C)c4n3)cc2[nH]1.
What is the InChIKey of N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is KLERAFWMZGECLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-11-4-3-5-13-10-22-21(27-18(11)13)26-15-8-16(20(28)25-14-6-7-14)19-17(9-15)23-12(2)24-19/h3-5,8-10,14H,6-7H2,1-2H3,(H,23,24)(H,25,28)(H,22,26,27).
What are the key properties of N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide?
N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 56961741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).