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

C14H24ClN3 — CID 107095115

IUPAC1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCCCc1nc(Cl)c(CNCC2(CC)CC2)[nH]1
InChIInChI=1S/C14H24ClN3/c1-3-5-6-12-17-11(13(15)18-12)9-16-10-14(4-2)7-8-14/h16H,3-10H2,1-2H3,(H,17,18)
InChIKeyBNVRHSCJBPWVLM-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.69
Rot. Bonds8

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

1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine (PubChem CID 107095115) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
PubChem CID107095115
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCCCc1nc(Cl)c(CNCC2(CC)CC2)[nH]1
InChIInChI=1S/C14H24ClN3/c1-3-5-6-12-17-11(13(15)18-12)9-16-10-14(4-2)7-8-14/h16H,3-10H2,1-2H3,(H,17,18)
InChIKeyBNVRHSCJBPWVLM-UHFFFAOYSA-N
XLogP3.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756106
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107272042
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107272296
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210296
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182978
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
CID 114331440
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107095589
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine
CID 83010483
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 107095487
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine
CID 113471623
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719572
2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
CID 107095406

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine (CID 107095115) is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine is CCCCc1nc(Cl)c(CNCC2(CC)CC2)[nH]1.
What is the InChIKey of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The InChIKey is BNVRHSCJBPWVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-3-5-6-12-17-11(13(15)18-12)9-16-10-14(4-2)7-8-14/h16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine has a molecular weight of 269.82 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 107095115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).