N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide

C26H33N5O4 — CID 45376885

IUPACN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc3nc(CN4CCOCC4)[nH]c3c2)o1)C1CCCCC1
InChIInChI=1S/C26H33N5O4/c1-27-26(33)24(17-5-3-2-4-6-17)30-25(32)22-10-9-21(35-22)18-7-8-19-20(15-18)29-23(28-19)16-31-11-13-34-14-12-31/h7-10,15,17,24H,2-6,11-14,16H2,1H3,(H,27,33)(H,28,29)(H,30,32)/t24-/m0/s1
InChIKeyINHYPJNUAWJADB-DEOSSOPVSA-N
MW479.58 g/mol
LogP3.08
Rot. Bonds7

About N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide (PubChem CID 45376885) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
PubChem CID45376885
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC NameN-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc3nc(CN4CCOCC4)[nH]c3c2)o1)C1CCCCC1
InChIInChI=1S/C26H33N5O4/c1-27-26(33)24(17-5-3-2-4-6-17)30-25(32)22-10-9-21(35-22)18-7-8-19-20(15-18)29-23(28-19)16-31-11-13-34-14-12-31/h7-10,15,17,24H,2-6,11-14,16H2,1H3,(H,27,33)(H,28,29)(H,30,32)/t24-/m0/s1
InChIKeyINHYPJNUAWJADB-DEOSSOPVSA-N
XLogP3.08
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide (CID 45376885) is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc3nc(CN4CCOCC4)[nH]c3c2)o1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is INHYPJNUAWJADB-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-27-26(33)24(17-5-3-2-4-6-17)30-25(32)22-10-9-21(35-22)18-7-8-19-20(15-18)29-23(28-19)16-31-11-13-34-14-12-31/h7-10,15,17,24H,2-6,11-14,16H2,1H3,(H,27,33)(H,28,29)(H,30,32)/t24-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 45376885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).