3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine

C20H30ClN3 — CID 46308858

IUPAC3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C20H30ClN3/c1-3-23(4-2)13-8-14-24-19-15-17(21)11-12-18(19)22-20(24)16-9-6-5-7-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyMWVZQNJNOBWJIP-UHFFFAOYSA-N
MW347.93 g/mol
LogP5.47
Rot. Bonds7

About 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine

3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine (PubChem CID 46308858) has the molecular formula C20H30ClN3 and a molecular weight of 347.93 g/mol. Its IUPAC name is 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
PubChem CID46308858
Molecular FormulaC20H30ClN3
Molecular Weight347.93 g/mol
Exact Mass347.21
IUPAC Name3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C20H30ClN3/c1-3-23(4-2)13-8-14-24-19-15-17(21)11-12-18(19)22-20(24)16-9-6-5-7-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyMWVZQNJNOBWJIP-UHFFFAOYSA-N
XLogP5.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.93
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine (CID 46308858) is 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine is CCN(CC)CCCn1c(C2CCCCC2)nc2ccc(Cl)cc21.
What is the InChIKey of 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine?
The InChIKey is MWVZQNJNOBWJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3/c1-3-23(4-2)13-8-14-24-19-15-17(21)11-12-18(19)22-20(24)16-9-6-5-7-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3.
What are the key properties of 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine?
3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine has a molecular weight of 347.93 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 46308858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).