N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline

C17H24ClN3 — CID 59728205

IUPACN-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline
SMILESCCCCc1ncc(CN(c2cccc(Cl)c2)C(C)C)[nH]1
InChIInChI=1S/C17H24ClN3/c1-4-5-9-17-19-11-15(20-17)12-21(13(2)3)16-8-6-7-14(18)10-16/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,19,20)
InChIKeyUUZICVPKHYSURG-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.82
Rot. Bonds7

About N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline

N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline (PubChem CID 59728205) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline
PubChem CID59728205
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline
SMILESCCCCc1ncc(CN(c2cccc(Cl)c2)C(C)C)[nH]1
InChIInChI=1S/C17H24ClN3/c1-4-5-9-17-19-11-15(20-17)12-21(13(2)3)16-8-6-7-14(18)10-16/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,19,20)
InChIKeyUUZICVPKHYSURG-UHFFFAOYSA-N
XLogP4.82
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-5-propyl-1H-imidazole
CID 68810469
N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 83821234
N-butyl-3-chloro-N-phenylaniline
CID 23348476
N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(6-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 131891415
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81362461
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 131930499
N-butyl-N-(3-chlorophenyl)-2-methylpropanamide
CID 18736118
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 90144753
N-(3-chlorophenyl)-N-methylethanesulfonamide
CID 118612457
2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline?
The IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline (CID 59728205) is N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline.
What is the SMILES notation for N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline?
The canonical SMILES for N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline is CCCCc1ncc(CN(c2cccc(Cl)c2)C(C)C)[nH]1.
What is the InChIKey of N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline?
The InChIKey is UUZICVPKHYSURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-5-9-17-19-11-15(20-17)12-21(13(2)3)16-8-6-7-14(18)10-16/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline?
N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline has a molecular weight of 305.85 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline is sourced from PubChem (CID 59728205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).