(2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine

C15H22ClN3O — CID 95203794

IUPAC(2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)C[C@@H](C)NCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H22ClN3O/c1-10(8-15(2,3)20-4)17-9-14-18-12-6-5-11(16)7-13(12)19-14/h5-7,10,17H,8-9H2,1-4H3,(H,18,19)/t10-/m1/s1
InChIKeyLCHDYXNUZRONQV-SNVBAGLBSA-N
MW295.81 g/mol
LogP3.51
Rot. Bonds6

About (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine

(2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 95203794) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID95203794
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)C[C@@H](C)NCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H22ClN3O/c1-10(8-15(2,3)20-4)17-9-14-18-12-6-5-11(16)7-13(12)19-14/h5-7,10,17H,8-9H2,1-4H3,(H,18,19)/t10-/m1/s1
InChIKeyLCHDYXNUZRONQV-SNVBAGLBSA-N
XLogP3.51
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136786648
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CID 53274260
3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153939
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
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N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337147
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683218
N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 78913569
2-(1-bromoethyl)-6-chloro-1H-benzimidazole
CID 82020457
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 154859288
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine (CID 95203794) is (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine is COC(C)(C)C[C@@H](C)NCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is LCHDYXNUZRONQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10(8-15(2,3)20-4)17-9-14-18-12-6-5-11(16)7-13(12)19-14/h5-7,10,17H,8-9H2,1-4H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
(2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 295.81 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 95203794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).