1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol

C16H21N3O — CID 79177340

IUPAC1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
SMILESCc1ncc(CNCC(O)C2CC2)n1-c1ccccc1
InChIInChI=1S/C16H21N3O/c1-12-18-10-15(9-17-11-16(20)13-7-8-13)19(12)14-5-3-2-4-6-14/h2-6,10,13,16-17,20H,7-9,11H2,1H3
InChIKeyNGCLAHVZIAZQPD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.04
Rot. Bonds6

About 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol

1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol (PubChem CID 79177340) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
PubChem CID79177340
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
SMILESCc1ncc(CNCC(O)C2CC2)n1-c1ccccc1
InChIInChI=1S/C16H21N3O/c1-12-18-10-15(9-17-11-16(20)13-7-8-13)19(12)14-5-3-2-4-6-14/h2-6,10,13,16-17,20H,7-9,11H2,1H3
InChIKeyNGCLAHVZIAZQPD-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-1-thiophen-2-ylethanol
CID 97002395
1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
CID 111969344
2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
CID 102695833
4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
CID 111969454
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
CID 107302931
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 79178221
1-cyclopropyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 63294865
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
CID 79178650
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 79036219
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
CID 106233404

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol (CID 79177340) is 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol is Cc1ncc(CNCC(O)C2CC2)n1-c1ccccc1.
What is the InChIKey of 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol?
The InChIKey is NGCLAHVZIAZQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-18-10-15(9-17-11-16(20)13-7-8-13)19(12)14-5-3-2-4-6-14/h2-6,10,13,16-17,20H,7-9,11H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol?
1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 79177340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).