1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine

C16H23N5 — CID 56706674

IUPAC1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
SMILESCc1nc(CNC(C)Cn2ccnc2)nc2c1CCCC2
InChIInChI=1S/C16H23N5/c1-12(10-21-8-7-17-11-21)18-9-16-19-13(2)14-5-3-4-6-15(14)20-16/h7-8,11-12,18H,3-6,9-10H2,1-2H3
InChIKeyDLYVDEQXFUALQX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.04
Rot. Bonds5

About 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine (PubChem CID 56706674) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
PubChem CID56706674
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
SMILESCc1nc(CNC(C)Cn2ccnc2)nc2c1CCCC2
InChIInChI=1S/C16H23N5/c1-12(10-21-8-7-17-11-21)18-9-16-19-13(2)14-5-3-4-6-15(14)20-16/h7-8,11-12,18H,3-6,9-10H2,1-2H3
InChIKeyDLYVDEQXFUALQX-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine with MolForge

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Related Compounds

(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 95201478
N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 136522247
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine
CID 50981206
[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 56718318
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94823725
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43792002
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 78962048
1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine
CID 61482334

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine (CID 56706674) is 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine is Cc1nc(CNC(C)Cn2ccnc2)nc2c1CCCC2.
What is the InChIKey of 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine?
The InChIKey is DLYVDEQXFUALQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(10-21-8-7-17-11-21)18-9-16-19-13(2)14-5-3-4-6-15(14)20-16/h7-8,11-12,18H,3-6,9-10H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 56706674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).