N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine

C14H21N3 — CID 82335815

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3/c1-3-5-10-17(4-2)11-14-15-12-8-6-7-9-13(12)16-14/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyAJYSOWUOWWSGOL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine

N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine (PubChem CID 82335815) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
PubChem CID82335815
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3/c1-3-5-10-17(4-2)11-14-15-12-8-6-7-9-13(12)16-14/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyAJYSOWUOWWSGOL-UHFFFAOYSA-N
XLogP3.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82335876
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82336677
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
2-docosyl-1H-benzimidazole
CID 141189761
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
N-(1H-benzimidazol-2-ylmethyl)-N-dodecyl-4-methylaniline
CID 71492460
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine
CID 154216054

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine (CID 82335815) is N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine is CCCCN(CC)Cc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine?
The InChIKey is AJYSOWUOWWSGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-5-10-17(4-2)11-14-15-12-8-6-7-9-13(12)16-14/h6-9H,3-5,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine?
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 82335815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).