2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine

C15H20ClN3O — CID 99951577

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine
SMILESCN(CCc1nc2ccc(Cl)cc2[nH]1)C[C@@H]1CCOC1
InChIInChI=1S/C15H20ClN3O/c1-19(9-11-5-7-20-10-11)6-4-15-17-13-3-2-12(16)8-14(13)18-15/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyRWAMNZWMNMGGQY-NSHDSACASA-N
MW293.80 g/mol
LogP2.73
Rot. Bonds5

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine

2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine (PubChem CID 99951577) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine
PubChem CID99951577
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine
SMILESCN(CCc1nc2ccc(Cl)cc2[nH]1)C[C@@H]1CCOC1
InChIInChI=1S/C15H20ClN3O/c1-19(9-11-5-7-20-10-11)6-4-15-17-13-3-2-12(16)8-14(13)18-15/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyRWAMNZWMNMGGQY-NSHDSACASA-N
XLogP2.73
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61443744
4-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126431641
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 171916049
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61431016
N-methyl-2-(6-methyl-2-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 131932722
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 28768564
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
2-[[methyl(oxolan-3-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 82731856

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine (CID 99951577) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine is CN(CCc1nc2ccc(Cl)cc2[nH]1)C[C@@H]1CCOC1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine?
The InChIKey is RWAMNZWMNMGGQY-NSHDSACASA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-19(9-11-5-7-20-10-11)6-4-15-17-13-3-2-12(16)8-14(13)18-15/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine?
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 99951577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).