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

C16H23N3O — CID 65076508

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
SMILESCc1nc2ccccc2n1CCNC1CCCOCC1
InChIInChI=1S/C16H23N3O/c1-13-18-15-6-2-3-7-16(15)19(13)10-9-17-14-5-4-11-20-12-8-14/h2-3,6-7,14,17H,4-5,8-12H2,1H3
InChIKeyYZUVHUPNEBAPEW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.50
Rot. Bonds4

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

N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine (PubChem CID 65076508) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
PubChem CID65076508
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
SMILESCc1nc2ccccc2n1CCNC1CCCOCC1
InChIInChI=1S/C16H23N3O/c1-13-18-15-6-2-3-7-16(15)19(13)10-9-17-14-5-4-11-20-12-8-14/h2-3,6-7,14,17H,4-5,8-12H2,1H3
InChIKeyYZUVHUPNEBAPEW-UHFFFAOYSA-N
XLogP2.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 81302349
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
(3aR,6aS)-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 154806034
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 113222196
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914818

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine (CID 65076508) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine is Cc1nc2ccccc2n1CCNC1CCCOCC1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine?
The InChIKey is YZUVHUPNEBAPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-18-15-6-2-3-7-16(15)19(13)10-9-17-14-5-4-11-20-12-8-14/h2-3,6-7,14,17H,4-5,8-12H2,1H3.
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine is sourced from PubChem (CID 65076508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).