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

C19H17N5 — CID 24541708

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
SMILESCn1ccnc1C(Nc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N5/c1-24-12-11-20-19(24)17(14-7-3-2-4-8-14)23-18-15-9-5-6-10-16(15)21-13-22-18/h2-13,17H,1H3,(H,21,22,23)
InChIKeyYABPZCROLCFTPF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.56
Rot. Bonds4

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

N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine (PubChem CID 24541708) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
PubChem CID24541708
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
SMILESCn1ccnc1C(Nc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N5/c1-24-12-11-20-19(24)17(14-7-3-2-4-8-14)23-18-15-9-5-6-10-16(15)21-13-22-18/h2-13,17H,1H3,(H,21,22,23)
InChIKeyYABPZCROLCFTPF-UHFFFAOYSA-N
XLogP3.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
CID 24541703
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
CID 40789664
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine
CID 92535647
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 25344777
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 26020095
5-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541698
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 25358367
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-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
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]quinazolin-4-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine (CID 24541708) is N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine is Cn1ccnc1C(Nc1ncnc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine?
The InChIKey is YABPZCROLCFTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-24-12-11-20-19(24)17(14-7-3-2-4-8-14)23-18-15-9-5-6-10-16(15)21-13-22-18/h2-13,17H,1H3,(H,21,22,23).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine?
N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 3.56, 4 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]quinazolin-4-amine is sourced from PubChem (CID 24541708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).