(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide

C25H31ClN4O2 — CID 93301259

IUPAC(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCC[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C25H31ClN4O2/c1-2-7-23(25(31)27-12-13-29-14-16-32-17-15-29)30-22-11-6-5-10-21(22)28-24(30)18-19-8-3-4-9-20(19)26/h3-6,8-11,23H,2,7,12-18H2,1H3,(H,27,31)/t23-/m0/s1
InChIKeyIFJPSCVTAMYWSW-QHCPKHFHSA-N
MW455.00 g/mol
LogP4.07
Rot. Bonds9

About (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide

(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 93301259) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID93301259
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC Name(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCCC[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C25H31ClN4O2/c1-2-7-23(25(31)27-12-13-29-14-16-32-17-15-29)30-22-11-6-5-10-21(22)28-24(30)18-19-8-3-4-9-20(19)26/h3-6,8-11,23H,2,7,12-18H2,1H3,(H,27,31)/t23-/m0/s1
InChIKeyIFJPSCVTAMYWSW-QHCPKHFHSA-N
XLogP4.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604
(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide
CID 93301536
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 51066946
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93300092
(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 93301455
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 83281530
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301248
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
CID 42810626
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one
CID 93301285
(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide
CID 93301338
(2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98229906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide (CID 93301259) is (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide is CCC[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is IFJPSCVTAMYWSW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-2-7-23(25(31)27-12-13-29-14-16-32-17-15-29)30-22-11-6-5-10-21(22)28-24(30)18-19-8-3-4-9-20(19)26/h3-6,8-11,23H,2,7,12-18H2,1H3,(H,27,31)/t23-/m0/s1.
What are the key properties of (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide?
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 455.00 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 93301259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).