2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine

C19H18N6 — CID 56961805

IUPAC2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine
SMILESCc1cccc2cnc(Nc3cc(N)c4nc(C5CC5)[nH]c4c3)nc12
InChIInChI=1S/C19H18N6/c1-10-3-2-4-12-9-21-19(25-16(10)12)22-13-7-14(20)17-15(8-13)23-18(24-17)11-5-6-11/h2-4,7-9,11H,5-6,20H2,1H3,(H,23,24)(H,21,22,25)
InChIKeyJTZQHCRTJWYSKG-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.02
Rot. Bonds3

About 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine

2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine (PubChem CID 56961805) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine
PubChem CID56961805
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine
SMILESCc1cccc2cnc(Nc3cc(N)c4nc(C5CC5)[nH]c4c3)nc12
InChIInChI=1S/C19H18N6/c1-10-3-2-4-12-9-21-19(25-16(10)12)22-13-7-14(20)17-15(8-13)23-18(24-17)11-5-6-11/h2-4,7-9,11H,5-6,20H2,1H3,(H,23,24)(H,21,22,25)
InChIKeyJTZQHCRTJWYSKG-UHFFFAOYSA-N
XLogP4.02
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine 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

N-[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-4-methylpiperazine-1-carboxamide
CID 56961810
[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 142717116
N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide
CID 56961741
1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine
CID 59615359
2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine
CID 83697347
ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
CID 59615247
N-(3-isocyanophenyl)-8-methylquinazolin-2-amine
CID 59615256
4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide
CID 142717111
N-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
CID 59615252
4-[(8-methylquinazolin-2-yl)amino]benzoic acid
CID 150737082
2-cyclopropyl-8-methyl-3H-quinazolin-4-one
CID 137201441
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine (CID 56961805) is 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine is Cc1cccc2cnc(Nc3cc(N)c4nc(C5CC5)[nH]c4c3)nc12.
What is the InChIKey of 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine?
The InChIKey is JTZQHCRTJWYSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-10-3-2-4-12-9-21-19(25-16(10)12)22-13-7-14(20)17-15(8-13)23-18(24-17)11-5-6-11/h2-4,7-9,11H,5-6,20H2,1H3,(H,23,24)(H,21,22,25).
What are the key properties of 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine?
2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine has a molecular weight of 330.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine is sourced from PubChem (CID 56961805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).