(3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide

C18H26N4O — CID 97002412

IUPAC(3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide
SMILESCc1ncc(CN[C@H](C)CC(=O)NC(C)C)n1-c1ccccc1
InChIInChI=1S/C18H26N4O/c1-13(2)21-18(23)10-14(3)19-11-17-12-20-15(4)22(17)16-8-6-5-7-9-16/h5-9,12-14,19H,10-11H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyKSOKFKDHGQIVKR-CQSZACIVSA-N
MW314.43 g/mol
LogP2.57
Rot. Bonds7

About (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide

(3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide (PubChem CID 97002412) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide
PubChem CID97002412
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide
SMILESCc1ncc(CN[C@H](C)CC(=O)NC(C)C)n1-c1ccccc1
InChIInChI=1S/C18H26N4O/c1-13(2)21-18(23)10-14(3)19-11-17-12-20-15(4)22(17)16-8-6-5-7-9-16/h5-9,12-14,19H,10-11H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyKSOKFKDHGQIVKR-CQSZACIVSA-N
XLogP2.57
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115697782
1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine
CID 79180311
2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
CID 102695833
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
CID 106233404
3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
CID 115655784
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine
CID 79179103
N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide
CID 71974552
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine
CID 119139113
1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
CID 79177340
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785
4-iodo-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79178654
2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79178875

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide?
The IUPAC name of (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide (CID 97002412) is (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide.
What is the SMILES notation for (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide?
The canonical SMILES for (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide is Cc1ncc(CN[C@H](C)CC(=O)NC(C)C)n1-c1ccccc1.
What is the InChIKey of (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide?
The InChIKey is KSOKFKDHGQIVKR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)21-18(23)10-14(3)19-11-17-12-20-15(4)22(17)16-8-6-5-7-9-16/h5-9,12-14,19H,10-11H2,1-4H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide?
(3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide has a molecular weight of 314.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 97002412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).