N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine

C14H26ClN3 — CID 113471623

IUPACN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine
SMILESCCCCc1nc(Cl)c(CNC(C)(C)CCC)[nH]1
InChIInChI=1S/C14H26ClN3/c1-5-7-8-12-17-11(13(15)18-12)10-16-14(3,4)9-6-2/h16H,5-10H2,1-4H3,(H,17,18)
InChIKeyQYENHWHJJOZABC-UHFFFAOYSA-N
MW271.84 g/mol
LogP4.07
Rot. Bonds8

About N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine (PubChem CID 113471623) has the molecular formula C14H26ClN3 and a molecular weight of 271.84 g/mol. Its IUPAC name is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine
PubChem CID113471623
Molecular FormulaC14H26ClN3
Molecular Weight271.84 g/mol
Exact Mass271.18
IUPAC NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine
SMILESCCCCc1nc(Cl)c(CNC(C)(C)CCC)[nH]1
InChIInChI=1S/C14H26ClN3/c1-5-7-8-12-17-11(13(15)18-12)10-16-14(3,4)9-6-2/h16H,5-10H2,1-4H3,(H,17,18)
InChIKeyQYENHWHJJOZABC-UHFFFAOYSA-N
XLogP4.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.84
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719572
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N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine
CID 107649352
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine
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2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 107095115
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pent-1-yn-3-amine
CID 106224939
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CID 83073048
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
CID 114331440
5-bromo-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2,4-difluoroaniline
CID 102852979
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 107095487
3-bromo-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-fluoroaniline
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Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine?
The IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine (CID 113471623) is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine.
What is the SMILES notation for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine?
The canonical SMILES for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine is CCCCc1nc(Cl)c(CNC(C)(C)CCC)[nH]1.
What is the InChIKey of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine?
The InChIKey is QYENHWHJJOZABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3/c1-5-7-8-12-17-11(13(15)18-12)10-16-14(3,4)9-6-2/h16H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine?
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine has a molecular weight of 271.84 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine is sourced from PubChem (CID 113471623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).