N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine

C25H21N5 — CID 24541703

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
SMILESCn1ccnc1C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H21N5/c1-30-17-16-26-25(30)22(18-10-4-2-5-11-18)28-24-20-14-8-9-15-21(20)27-23(29-24)19-12-6-3-7-13-19/h2-17,22H,1H3,(H,27,28,29)
InChIKeyGODPWXAZVLKRAS-UHFFFAOYSA-N
MW391.48 g/mol
LogP5.23
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine (PubChem CID 24541703) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
PubChem CID24541703
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
SMILESCn1ccnc1C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H21N5/c1-30-17-16-26-25(30)22(18-10-4-2-5-11-18)28-24-20-14-8-9-15-21(20)27-23(29-24)19-12-6-3-7-13-19/h2-17,22H,1H3,(H,27,28,29)
InChIKeyGODPWXAZVLKRAS-UHFFFAOYSA-N
XLogP5.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine
CID 92535647
N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
CID 40789664
3,6-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72916824
3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 97205146
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline
CID 4785528
5-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541698
2-phenyl-N-pyrrol-1-ylquinazolin-4-amine
CID 10108060
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40792426

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine (CID 24541703) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine is Cn1ccnc1C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine?
The InChIKey is GODPWXAZVLKRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5/c1-30-17-16-26-25(30)22(18-10-4-2-5-11-18)28-24-20-14-8-9-15-21(20)27-23(29-24)19-12-6-3-7-13-19/h2-17,22H,1H3,(H,27,28,29).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine has a molecular weight of 391.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 24541703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).