2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide

C22H16N6O — CID 59483498

IUPAC2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c2ccccc2n1
InChIInChI=1S/C22H16N6O/c23-22-27-15-9-3-1-7-13(15)19(28-22)21(29)26-16-10-4-2-8-14(16)20-24-17-11-5-6-12-18(17)25-20/h1-12H,(H,24,25)(H,26,29)(H2,23,27,28)
InChIKeyCDUYYWUSYZQYQR-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.01
Rot. Bonds3

About 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide

2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide (PubChem CID 59483498) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide
PubChem CID59483498
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c2ccccc2n1
InChIInChI=1S/C22H16N6O/c23-22-27-15-9-3-1-7-13(15)19(28-22)21(29)26-16-10-4-2-8-14(16)20-24-17-11-5-6-12-18(17)25-20/h1-12H,(H,24,25)(H,26,29)(H2,23,27,28)
InChIKeyCDUYYWUSYZQYQR-UHFFFAOYSA-N
XLogP4.01
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
CID 739930
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 5159784
4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135995875
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
4-hydrazinyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135794633
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 60527286
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402
N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 112809550
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997603
3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
CID 7150618

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide (CID 59483498) is 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide is Nc1nc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c2ccccc2n1.
What is the InChIKey of 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide?
The InChIKey is CDUYYWUSYZQYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c23-22-27-15-9-3-1-7-13(15)19(28-22)21(29)26-16-10-4-2-8-14(16)20-24-17-11-5-6-12-18(17)25-20/h1-12H,(H,24,25)(H,26,29)(H2,23,27,28).
What are the key properties of 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide?
2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide is sourced from PubChem (CID 59483498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).