benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate

C20H23N3O3 — CID 42632051

IUPACbenzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate
SMILESCOc1ccc2nc([C@@H](NC(=O)OCc3ccccc3)C(C)C)[nH]c2c1
InChIInChI=1S/C20H23N3O3/c1-13(2)18(23-20(24)26-12-14-7-5-4-6-8-14)19-21-16-10-9-15(25-3)11-17(16)22-19/h4-11,13,18H,12H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyBULYDMXNDYVCLB-SFHVURJKSA-N
MW353.42 g/mol
LogP4.20
Rot. Bonds6

About benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate

benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate (PubChem CID 42632051) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate
PubChem CID42632051
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namebenzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate
SMILESCOc1ccc2nc([C@@H](NC(=O)OCc3ccccc3)C(C)C)[nH]c2c1
InChIInChI=1S/C20H23N3O3/c1-13(2)18(23-20(24)26-12-14-7-5-4-6-8-14)19-21-16-10-9-15(25-3)11-17(16)22-19/h4-11,13,18H,12H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyBULYDMXNDYVCLB-SFHVURJKSA-N
XLogP4.20
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1S)-2-methyl-1-[6-(piperidine-1-carbonyl)-1H-benzimidazol-2-yl]propyl]carbamate
CID 42632180
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
[(1S)-1-[6-[2-[2-[(1S)-1-(phenylmethoxycarbonylamino)propyl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazol-2-yl]propyl]carbamic acid
CID 67530809
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55936739
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide
CID 100613262
tert-butyl (3R)-3-[[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamoyl]heptanoate
CID 42632282
3-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]propanoic acid
CID 82336086
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
(E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 8927993

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate (CID 42632051) is benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate is COc1ccc2nc([C@@H](NC(=O)OCc3ccccc3)C(C)C)[nH]c2c1.
What is the InChIKey of benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate?
The InChIKey is BULYDMXNDYVCLB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(2)18(23-20(24)26-12-14-7-5-4-6-8-14)19-21-16-10-9-15(25-3)11-17(16)22-19/h4-11,13,18H,12H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate?
benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate has a molecular weight of 353.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 42632051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).