N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide

C29H33N5O2 — CID 55436371

IUPACN-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C29H33N5O2/c35-29(33(23-24-13-15-30-16-14-24)18-6-17-32-19-21-36-22-20-32)12-11-28-31-26-9-4-5-10-27(26)34(28)25-7-2-1-3-8-25/h1-5,7-10,13-16H,6,11-12,17-23H2
InChIKeyDCTGRSZTFCZFJR-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.10
Rot. Bonds10

About N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide

N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 55436371) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID55436371
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C29H33N5O2/c35-29(33(23-24-13-15-30-16-14-24)18-6-17-32-19-21-36-22-20-32)12-11-28-31-26-9-4-5-10-27(26)34(28)25-7-2-1-3-8-25/h1-5,7-10,13-16H,6,11-12,17-23H2
InChIKeyDCTGRSZTFCZFJR-UHFFFAOYSA-N
XLogP4.10
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide
CID 56564213
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
CID 56564245
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564495
2-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56536378
2-(4-tert-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564277
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 56564212
3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536604
2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
CID 119206156
3-(2,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536360
N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564590

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide (CID 55436371) is N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide is O=C(CCc1nc2ccccc2n1-c1ccccc1)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is DCTGRSZTFCZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c35-29(33(23-24-13-15-30-16-14-24)18-6-17-32-19-21-36-22-20-32)12-11-28-31-26-9-4-5-10-27(26)34(28)25-7-2-1-3-8-25/h1-5,7-10,13-16H,6,11-12,17-23H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 483.62 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 55436371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).