N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

C27H34N4O2 — CID 55332413

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C27H34N4O2/c32-26(28-21-27(15-7-2-8-16-27)30-17-19-33-20-18-30)14-13-25-29-23-11-5-6-12-24(23)31(25)22-9-3-1-4-10-22/h1,3-6,9-12H,2,7-8,13-21H2,(H,28,32)
InChIKeyBXOSGQBYDBAACL-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.11
Rot. Bonds7

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 55332413) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID55332413
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C27H34N4O2/c32-26(28-21-27(15-7-2-8-16-27)30-17-19-33-20-18-30)14-13-25-29-23-11-5-6-12-24(23)31(25)22-9-3-1-4-10-22/h1,3-6,9-12H,2,7-8,13-21H2,(H,28,32)
InChIKeyBXOSGQBYDBAACL-UHFFFAOYSA-N
XLogP4.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135926182
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 17464931
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111004121
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422
3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 112765124
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide
CID 119459811
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119390648

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 55332413) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is O=C(CCc1nc2ccccc2n1-c1ccccc1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is BXOSGQBYDBAACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c32-26(28-21-27(15-7-2-8-16-27)30-17-19-33-20-18-30)14-13-25-29-23-11-5-6-12-24(23)31(25)22-9-3-1-4-10-22/h1,3-6,9-12H,2,7-8,13-21H2,(H,28,32).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 446.60 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 55332413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).