1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine

C16H24N4 — CID 28712904

IUPAC1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
SMILESCc1nc2ccccc2n1CCNC1CCN(C)CC1
InChIInChI=1S/C16H24N4/c1-13-18-15-5-3-4-6-16(15)20(13)12-9-17-14-7-10-19(2)11-8-14/h3-6,14,17H,7-12H2,1-2H3
InChIKeyFQUUZQWIWJODJJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.03
Rot. Bonds4

About 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine

1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine (PubChem CID 28712904) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
PubChem CID28712904
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
SMILESCc1nc2ccccc2n1CCNC1CCN(C)CC1
InChIInChI=1S/C16H24N4/c1-13-18-15-5-3-4-6-16(15)20(13)12-9-17-14-7-10-19(2)11-8-14/h3-6,14,17H,7-12H2,1-2H3
InChIKeyFQUUZQWIWJODJJ-UHFFFAOYSA-N
XLogP2.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
CID 65076508
1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 113222196
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960
1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 81302349
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
(3aR,6aS)-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 154806034
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654333
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine (CID 28712904) is 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine is Cc1nc2ccccc2n1CCNC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine?
The InChIKey is FQUUZQWIWJODJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13-18-15-5-3-4-6-16(15)20(13)12-9-17-14-7-10-19(2)11-8-14/h3-6,14,17H,7-12H2,1-2H3.
What are the key properties of 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine?
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine has a molecular weight of 272.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 28712904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).