tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate

C23H30N4O2 — CID 18763014

IUPACtert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate
SMILESCNc1ccc2c(c1)nc(CCCc1ccc(NC(=O)OC(C)(C)C)cc1)n2C
InChIInChI=1S/C23H30N4O2/c1-23(2,3)29-22(28)25-17-11-9-16(10-12-17)7-6-8-21-26-19-15-18(24-4)13-14-20(19)27(21)5/h9-15,24H,6-8H2,1-5H3,(H,25,28)
InChIKeyFRYFNMQEHJVXTE-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.14
Rot. Bonds6

About tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate

tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate (PubChem CID 18763014) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate
PubChem CID18763014
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Nametert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate
SMILESCNc1ccc2c(c1)nc(CCCc1ccc(NC(=O)OC(C)(C)C)cc1)n2C
InChIInChI=1S/C23H30N4O2/c1-23(2,3)29-22(28)25-17-11-9-16(10-12-17)7-6-8-21-26-19-15-18(24-4)13-14-20(19)27(21)5/h9-15,24H,6-8H2,1-5H3,(H,25,28)
InChIKeyFRYFNMQEHJVXTE-UHFFFAOYSA-N
XLogP5.14
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

prop-2-enyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(3-phenylpropyl)benzimidazol-2-yl]carbamate
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CID 66988932
tert-butyl N-[6-hydroxy-3-methyl-2-(2-sulfanylethyl)benzimidazol-5-yl]carbamate
CID 142313913
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
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6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxohexanoic acid
CID 70436873
1-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]indole-5-carboxylic acid
CID 58408799
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
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4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate (CID 18763014) is tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate is CNc1ccc2c(c1)nc(CCCc1ccc(NC(=O)OC(C)(C)C)cc1)n2C.
What is the InChIKey of tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate?
The InChIKey is FRYFNMQEHJVXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-23(2,3)29-22(28)25-17-11-9-16(10-12-17)7-6-8-21-26-19-15-18(24-4)13-14-20(19)27(21)5/h9-15,24H,6-8H2,1-5H3,(H,25,28).
What are the key properties of tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate?
tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate has a molecular weight of 394.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-[1-methyl-5-(methylamino)benzimidazol-2-yl]propyl]phenyl]carbamate is sourced from PubChem (CID 18763014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).